CID 151029

2,5-dichloro-4-hydroxyphenoxyacetic acid

Structural Information

Molecular Formula

C₈H₆Cl₂O₄

SMILES

C1=C(C(=CC(=C1Cl)OCC(=O)O)Cl)O

InChI

InChI=1S/C8H6Cl2O4/c9-4-2-7(14-3-8(12)13)5(10)1-6(4)11/h1-2,11H,3H2,(H,12,13)

InChIKey

UENNJUJWZAJJIG-UHFFFAOYSA-N

Compound name

2-(2,5-dichloro-4-hydroxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 235.96431 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.97159	141.4
[M+Na]+	258.95353	154.7
[M+NH4]+	253.99813	148.7
[M+K]+	274.92747	149.4
[M-H]-	234.95703	141.3
[M+Na-2H]-	256.93898	146.5
[M]+	235.96376	143.7
[M]-	235.96486	143.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.